1-aminopropan-1-ol;2-(4-phenylphenyl)acetic acid;hydrochloride

C17H22ClNO3 — CID 86623035

IUPAC1-aminopropan-1-ol;2-(4-phenylphenyl)acetic acid;hydrochloride
SMILESCCC(N)O.Cl.O=C(O)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C14H12O2.C3H9NO.ClH/c15-14(16)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12;1-2-3(4)5;/h1-9H,10H2,(H,15,16);3,5H,2,4H2,1H3;1H
InChIKeyUAORBQCNBFOUQC-UHFFFAOYSA-N
MW323.82 g/mol
LogP3.08
Rot. Bonds4

About 1-aminopropan-1-ol;2-(4-phenylphenyl)acetic acid;hydrochloride

1-aminopropan-1-ol;2-(4-phenylphenyl)acetic acid;hydrochloride (PubChem CID 86623035) has the molecular formula C17H22ClNO3 and a molecular weight of 323.82 g/mol. Its IUPAC name is 1-aminopropan-1-ol;2-(4-phenylphenyl)acetic acid;hydrochloride.

Molecular Properties

Compound Name1-aminopropan-1-ol;2-(4-phenylphenyl)acetic acid;hydrochloride
PubChem CID86623035
Molecular FormulaC17H22ClNO3
Molecular Weight323.82 g/mol
Exact Mass323.13
IUPAC Name1-aminopropan-1-ol;2-(4-phenylphenyl)acetic acid;hydrochloride
SMILESCCC(N)O.Cl.O=C(O)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C14H12O2.C3H9NO.ClH/c15-14(16)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12;1-2-3(4)5;/h1-9H,10H2,(H,15,16);3,5H,2,4H2,1H3;1H
InChIKeyUAORBQCNBFOUQC-UHFFFAOYSA-N
XLogP3.08
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

calcium;hydride;2-(4-phenylphenyl)acetic acid
CID 174946649
2-[4-[4-(aminomethyl)phenyl]phenyl]acetic acid
CID 1394294
2-(dimethylamino)ethanol;2-(4-phenylphenyl)acetic acid
CID 174946670
(2S)-2-amino-3-[4-(4-phenylphenyl)phenyl]propanoic acid;hydrochloride
CID 70131876
(3R)-3-amino-4-(4-phenylphenyl)butan-2-one
CID 159098025
2-[3-(4-ethylphenyl)phenyl]acetic acid
CID 1393629
ethyl (2S,4R)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoate;hydrochloride
CID 127255946
ethyl 2-(4-phenylphenyl)acetate;2-(2-phenylphenyl)acetic acid
CID 70442423
1-(4-phenylphenyl)butan-2-amine
CID 23591877
(2S)-2-amino-3-methylbutanoic acid;2-phenylacetic acid
CID 67721375
3-amino-4-(4-phenylphenyl)butan-2-one;ethane
CID 176709550
2-[4-(4-ethoxyphenyl)phenyl]acetic acid
CID 1394503

Frequently Asked Questions

What is the IUPAC name of 1-aminopropan-1-ol;2-(4-phenylphenyl)acetic acid;hydrochloride?
The IUPAC name of 1-aminopropan-1-ol;2-(4-phenylphenyl)acetic acid;hydrochloride (CID 86623035) is 1-aminopropan-1-ol;2-(4-phenylphenyl)acetic acid;hydrochloride.
What is the SMILES notation for 1-aminopropan-1-ol;2-(4-phenylphenyl)acetic acid;hydrochloride?
The canonical SMILES for 1-aminopropan-1-ol;2-(4-phenylphenyl)acetic acid;hydrochloride is CCC(N)O.Cl.O=C(O)Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-aminopropan-1-ol;2-(4-phenylphenyl)acetic acid;hydrochloride?
The InChIKey is UAORBQCNBFOUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2.C3H9NO.ClH/c15-14(16)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12;1-2-3(4)5;/h1-9H,10H2,(H,15,16);3,5H,2,4H2,1H3;1H.
What are the key properties of 1-aminopropan-1-ol;2-(4-phenylphenyl)acetic acid;hydrochloride?
1-aminopropan-1-ol;2-(4-phenylphenyl)acetic acid;hydrochloride has a molecular weight of 323.82 g/mol, XLogP of 3.08, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminopropan-1-ol;2-(4-phenylphenyl)acetic acid;hydrochloride is sourced from PubChem (CID 86623035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).